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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4107",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4105",
"results": [
{
"id": "jvasp-167",
"created_at": "2022-09-04T14:37:08.656182Z",
"updated_at": "2022-09-04T14:37:08.656206Z",
"structure_string": "Mg1 I2\n1.0\n2.084411 -3.610305 0.000000\n2.084411 3.610305 -0.000000\n0.000000 0.000000 6.849617\nMg I\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.755718 I\n0.666667 0.333333 0.244283 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"I"
],
"chemical_system": "I-Mg",
"density": 4.479693719450732,
"density_atomic": 0.029100317103353094,
"volume": 103.0916601130207,
"volume_molar": 20.694416279422935,
"formula_full": "Mg1 I2",
"formula_reduced": "MgI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-123931",
"created_at": "2022-09-04T14:38:55.607277Z",
"updated_at": "2022-09-04T14:38:55.607308Z",
"structure_string": "Mg1 I1\n1.0\n1.945876 -3.370361 0.000000\n1.945876 3.370361 -0.000000\n-0.000000 0.000000 4.390975\nMg I\n1 1\ndirect\n0.333334 0.666668 0.250000 Mg\n0.666668 0.333334 0.749999 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"I"
],
"chemical_system": "I-Mg",
"density": 4.359588980533816,
"density_atomic": 0.03472541568407373,
"volume": 57.59470291718549,
"volume_molar": 17.34217039988368,
"formula_full": "Mg1 I1",
"formula_reduced": "MgI",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 187
},
{
"id": "jvasp-103614",
"created_at": "2022-09-04T14:36:41.693849Z",
"updated_at": "2022-09-04T14:36:41.693866Z",
"structure_string": "Mg2 Hg4\n1.0\n7.517536 0.156950 0.000000\n-6.736819 3.339648 0.000000\n0.000000 0.000000 5.216983\nMg Hg\n2 4\ndirect\n0.602433 0.397568 0.250000 Mg\n0.397568 0.602433 0.750000 Mg\n0.263120 0.736881 0.250000 Hg\n0.939235 0.060765 0.250000 Hg\n0.736881 0.263119 0.750000 Hg\n0.060766 0.939235 0.750000 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.352659708554116,
"density_atomic": 0.04395819407981852,
"volume": 136.49332338597225,
"volume_molar": 13.699700103842078,
"formula_full": "Mg2 Hg4",
"formula_reduced": "MgHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3004225,
"spacegroup": 63
},
{
"id": "jvasp-104598",
"created_at": "2022-09-04T14:36:51.857312Z",
"updated_at": "2022-09-04T14:36:51.857332Z",
"structure_string": "Mg2 Hg4\n1.0\n6.150909 0.150715 1.914058\n5.125047 3.404452 1.914058\n0.084250 0.026563 6.728556\nMg Hg\n2 4\ndirect\n0.000237 0.000236 0.749858 Mg\n-0.000236 -0.000237 0.250143 Mg\n0.653945 0.653941 0.917607 Hg\n0.346058 0.346056 0.082394 Hg\n0.654042 0.654038 0.417073 Hg\n0.345961 0.345959 0.582928 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.45749282072137,
"density_atomic": 0.04440332358473521,
"volume": 135.12502028255054,
"volume_molar": 13.562364872322908,
"formula_full": "Mg2 Hg4",
"formula_reduced": "MgHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2974458333333333,
"spacegroup": 12
},
{
"id": "jvasp-93502",
"created_at": "2022-09-04T14:35:59.348477Z",
"updated_at": "2022-09-04T14:35:59.348499Z",
"structure_string": "Mg1 Hg5\n1.0\n-5.264924 3.039704 0.000000\n-0.000000 -6.079412 -0.000000\n-1.754975 3.039704 4.754103\nMg Hg\n1 5\ndirect\n0.833332 0.500000 0.500001 Mg\n0.946118 0.000000 0.999998 Hg\n0.720544 0.387210 0.999998 Hg\n0.333335 0.612789 0.000000 Hg\n0.189303 0.144030 0.432093 Hg\n0.477363 0.855966 0.567907 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 11.209986554980572,
"density_atomic": 0.03943020008184716,
"volume": 152.16762754298765,
"volume_molar": 15.272914536318742,
"formula_full": "Mg1 Hg5",
"formula_reduced": "MgHg5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0037349999999999,
"spacegroup": 155
},
{
"id": "jvasp-16549",
"created_at": "2022-09-04T14:38:15.213537Z",
"updated_at": "2022-09-04T14:38:15.213561Z",
"structure_string": "Mg1 Hg2\n1.0\n3.623233 0.000000 -1.448596\n-0.579160 3.576645 -1.448596\n-0.016693 -0.019614 5.213765\nMg Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666870 0.666870 0.333740 Hg\n0.333130 0.333130 0.666260 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.489027754456878,
"density_atomic": 0.044537223353148754,
"volume": 67.35938556860891,
"volume_molar": 13.521590046709184,
"formula_full": "Mg1 Hg2",
"formula_reduced": "MgHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3069858333333332,
"spacegroup": 139
},
{
"id": "jvasp-19702",
"created_at": "2022-09-04T14:37:55.334646Z",
"updated_at": "2022-09-04T14:37:55.334670Z",
"structure_string": "Mg1 Hg1\n1.0\n3.473330 0.000000 0.000000\n-0.000000 3.473330 0.000000\n0.000000 0.000000 3.473330\nMg Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 8.912319662299147,
"density_atomic": 0.047730046041956256,
"volume": 41.90232706337503,
"volume_molar": 12.617085587360094,
"formula_full": "Mg1 Hg1",
"formula_reduced": "MgHg",
"formula_anonymous": "AB",
"energy_above_hull": 0.4983633333333332,
"spacegroup": 221
},
{
"id": "jvasp-110824",
"created_at": "2022-09-04T14:38:45.488053Z",
"updated_at": "2022-09-04T14:38:45.488081Z",
"structure_string": "Mg2 Hg4\n1.0\n6.458245 -0.154046 2.324295\n5.537459 3.327041 2.324295\n0.094273 0.024936 6.219827\nMg Hg\n2 4\ndirect\n0.148285 0.148286 0.421391 Mg\n0.851714 0.851714 0.578609 Mg\n0.184310 0.184312 0.860661 Hg\n0.815689 0.815688 0.139338 Hg\n0.513159 0.513159 0.234806 Hg\n0.486840 0.486841 0.765193 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.229697843366603,
"density_atomic": 0.04343608848700522,
"volume": 138.133985103079,
"volume_molar": 13.86437170050808,
"formula_full": "Mg2 Hg4",
"formula_reduced": "MgHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2980691666666666,
"spacegroup": 12
},
{
"id": "jvasp-109291",
"created_at": "2022-09-04T14:38:48.029445Z",
"updated_at": "2022-09-04T14:38:48.029467Z",
"structure_string": "Mg2 Hg4\n1.0\n4.266825 -0.182371 3.103375\n1.282019 4.073755 3.103375\n0.071212 0.049941 7.860563\nMg Hg\n2 4\ndirect\n0.885757 0.114241 0.750001 Mg\n0.114242 0.885757 0.250001 Mg\n0.218038 0.424056 0.769761 Hg\n0.781961 0.575943 0.230241 Hg\n0.424056 0.218038 0.269761 Hg\n0.575943 0.781961 0.730241 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.309335077364546,
"density_atomic": 0.043774234343878005,
"volume": 137.06693195055558,
"volume_molar": 13.75727262912645,
"formula_full": "Mg2 Hg4",
"formula_reduced": "MgHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2981525,
"spacegroup": 15
},
{
"id": "jvasp-37195",
"created_at": "2022-09-04T14:37:55.750184Z",
"updated_at": "2022-09-04T14:37:55.750227Z",
"structure_string": "Mg3 Hg1\n1.0\n4.379489 0.000000 0.000000\n0.000000 4.379489 0.000000\n-0.000000 -0.000000 4.379489\nMg Hg\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 5.406846598296114,
"density_atomic": 0.04762003077664933,
"volume": 83.99826574579653,
"volume_molar": 12.646234497926827,
"formula_full": "Mg3 Hg1",
"formula_reduced": "Mg3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1008295833333333,
"spacegroup": 221
},
{
"id": "jvasp-109326",
"created_at": "2022-09-04T14:37:58.677821Z",
"updated_at": "2022-09-04T14:37:58.677844Z",
"structure_string": "Mg2 Hg6\n1.0\n5.045617 -0.000000 0.000000\n-2.522808 4.369633 0.000000\n-0.000000 -0.000000 8.902035\nMg Hg\n2 6\ndirect\n0.333333 0.666666 0.250000 Mg\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666666 0.573116 Hg\n0.666667 0.333333 0.426884 Hg\n0.666667 0.333333 0.073116 Hg\n0.333333 0.666666 0.926885 Hg\n0.000000 0.000000 0.250000 Hg\n0.000000 0.000000 0.750000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.59392548659822,
"density_atomic": 0.04076068234846831,
"volume": 196.26756813359924,
"volume_molar": 14.774386524042814,
"formula_full": "Mg2 Hg6",
"formula_reduced": "MgHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1626045833333332,
"spacegroup": 194
},
{
"id": "jvasp-99491",
"created_at": "2022-09-04T14:36:31.563433Z",
"updated_at": "2022-09-04T14:36:31.563457Z",
"structure_string": "Mg5 Hg1\n1.0\n8.127449 0.040289 0.000000\n-7.475020 3.190787 0.000000\n0.000000 0.000000 5.002721\nMg Hg\n5 1\ndirect\n0.000894 0.999108 0.500000 Mg\n0.671329 0.328672 0.500000 Mg\n0.335086 0.664915 0.500000 Mg\n0.556312 0.443689 -0.000000 Mg\n0.882064 0.117937 -0.000000 Mg\n0.220988 0.779013 -0.000000 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 4.075559781272053,
"density_atomic": 0.04571707872113411,
"volume": 131.24198150540002,
"volume_molar": 13.172628104113928,
"formula_full": "Mg5 Hg1",
"formula_reduced": "Mg5Hg",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0014633333333333,
"spacegroup": 38
}
]
}